[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone

C23H27N5O2 — CID 110218490

IUPAC[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncc(-c2onc(C)c2C)c(C2CCCN2C(=O)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-14-15(2)26-30-22(14)19-13-24-16(3)25-21(19)20-7-6-12-28(20)23(29)17-8-10-18(11-9-17)27(4)5/h8-11,13,20H,6-7,12H2,1-5H3
InChIKeyMCFQWSDKTIOQDN-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.10
Rot. Bonds4

About [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 110218490) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID110218490
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncc(-c2onc(C)c2C)c(C2CCCN2C(=O)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-14-15(2)26-30-22(14)19-13-24-16(3)25-21(19)20-7-6-12-28(20)23(29)17-8-10-18(11-9-17)27(4)5/h8-11,13,20H,6-7,12H2,1-5H3
InChIKeyMCFQWSDKTIOQDN-UHFFFAOYSA-N
XLogP4.10
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-4-fluorophenyl)-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 92597031
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
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
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
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766135
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95850470
[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 110744503
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 53039347

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 110218490) is [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone is Cc1ncc(-c2onc(C)c2C)c(C2CCCN2C(=O)c2ccc(N(C)C)cc2)n1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MCFQWSDKTIOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-15(2)26-30-22(14)19-13-24-16(3)25-21(19)20-7-6-12-28(20)23(29)17-8-10-18(11-9-17)27(4)5/h8-11,13,20H,6-7,12H2,1-5H3.
What are the key properties of [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).