1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C24H29N5O2 — CID 92596998

IUPAC1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)c1C
InChIInChI=1S/C24H29N5O2/c1-16-17(2)27-31-23(16)19-15-25-24(28(3)4)26-22(19)20-11-8-14-29(20)21(30)13-12-18-9-6-5-7-10-18/h5-7,9-10,15,20H,8,11-14H2,1-4H3/t20-/m0/s1
InChIKeyYQJPOGIHHZCLQZ-FQEVSTJZSA-N
MW419.53 g/mol
LogP4.11
Rot. Bonds6

About 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 92596998) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID92596998
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)c1C
InChIInChI=1S/C24H29N5O2/c1-16-17(2)27-31-23(16)19-15-25-24(28(3)4)26-22(19)20-11-8-14-29(20)21(30)13-12-18-9-6-5-7-10-18/h5-7,9-10,15,20H,8,11-14H2,1-4H3/t20-/m0/s1
InChIKeyYQJPOGIHHZCLQZ-FQEVSTJZSA-N
XLogP4.11
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95850476
1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
CID 171667099
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92554405
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
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
(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
1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110266247
1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92554504
5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 92593805
[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218490

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 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) is 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)c1C.
What is the InChIKey of 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is YQJPOGIHHZCLQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-17(2)27-31-23(16)19-15-25-24(28(3)4)26-22(19)20-11-8-14-29(20)21(30)13-12-18-9-6-5-7-10-18/h5-7,9-10,15,20H,8,11-14H2,1-4H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 419.53 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 92596998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).