cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide

C23H27N5O2 — CID 92597117

IUPACcis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)c1C
InChIInChI=1S/C23H27N5O2/c1-13-10-18(13)22(29)24-11-16-6-8-17(9-7-16)20-19(12-25-23(26-20)28(4)5)21-14(2)15(3)27-30-21/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,29)/t13-,18+/m0/s1
InChIKeyIVLORYFAPGEBTD-SCLBCKFNSA-N
MW405.50 g/mol
LogP3.75
Rot. Bonds6

About cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 92597117) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID92597117
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Namecis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)c1C
InChIInChI=1S/C23H27N5O2/c1-13-10-18(13)22(29)24-11-16-6-8-17(9-7-16)20-19(12-25-23(26-20)28(4)5)21-14(2)15(3)27-30-21/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,29)/t13-,18+/m0/s1
InChIKeyIVLORYFAPGEBTD-SCLBCKFNSA-N
XLogP3.75
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 92597109
(1S,2R,4R,5S)-N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 124819895
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 110238436
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
CID 92560772
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92596998
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide (CID 92597117) is cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide is Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)c1C.
What is the InChIKey of cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is IVLORYFAPGEBTD-SCLBCKFNSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13-10-18(13)22(29)24-11-16-6-8-17(9-7-16)20-19(12-25-23(26-20)28(4)5)21-14(2)15(3)27-30-21/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,29)/t13-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 92597117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).