N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide

C22H25N5O2 — CID 92597109

IUPACN-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)c1C
InChIInChI=1S/C22H25N5O2/c1-13-14(2)26-29-20(13)18-12-24-22(27(3)4)25-19(18)16-7-5-15(6-8-16)11-23-21(28)17-9-10-17/h5-8,12,17H,9-11H2,1-4H3,(H,23,28)
InChIKeyCUWIQJQIFWJCSP-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 92597109) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID92597109
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)c1C
InChIInChI=1S/C22H25N5O2/c1-13-14(2)26-29-20(13)18-12-24-22(27(3)4)25-19(18)16-7-5-15(6-8-16)11-23-21(28)17-9-10-17/h5-8,12,17H,9-11H2,1-4H3,(H,23,28)
InChIKeyCUWIQJQIFWJCSP-UHFFFAOYSA-N
XLogP3.51
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 110238436
(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-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
CID 92560772
(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 51584655
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
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364310
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
CID 98133623
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide (CID 92597109) is N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide is Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)c1C.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is CUWIQJQIFWJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-14(2)26-29-20(13)18-12-24-22(27(3)4)25-19(18)16-7-5-15(6-8-16)11-23-21(28)17-9-10-17/h5-8,12,17H,9-11H2,1-4H3,(H,23,28).
What are the key properties of N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 92597109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).