(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide

C21H27N5O3 — CID 92554375

IUPAC(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCc1cc(-c2cnc(N3CCC(NC(=O)[C@H]4CCCO4)CC3)nc2C2CC2)on1
InChIInChI=1S/C21H27N5O3/c1-13-11-18(29-25-13)16-12-22-21(24-19(16)14-4-5-14)26-8-6-15(7-9-26)23-20(27)17-3-2-10-28-17/h11-12,14-15,17H,2-10H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyYLXRKICTMDVRHS-QGZVFWFLSA-N
MW397.48 g/mol
LogP2.58
Rot. Bonds5

About (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide

(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 92554375) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID92554375
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCc1cc(-c2cnc(N3CCC(NC(=O)[C@H]4CCCO4)CC3)nc2C2CC2)on1
InChIInChI=1S/C21H27N5O3/c1-13-11-18(29-25-13)16-12-22-21(24-19(16)14-4-5-14)26-8-6-15(7-9-26)23-20(27)17-3-2-10-28-17/h11-12,14-15,17H,2-10H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyYLXRKICTMDVRHS-QGZVFWFLSA-N
XLogP2.58
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 92554368
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide
CID 110224627
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 124912954
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 92580652
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
CID 46960986
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide (CID 92554375) is (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide is Cc1cc(-c2cnc(N3CCC(NC(=O)[C@H]4CCCO4)CC3)nc2C2CC2)on1.
What is the InChIKey of (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is YLXRKICTMDVRHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13-11-18(29-25-13)16-12-22-21(24-19(16)14-4-5-14)26-8-6-15(7-9-26)23-20(27)17-3-2-10-28-17/h11-12,14-15,17H,2-10H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide?
(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 92554375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).