N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide

C18H18N6O2 — CID 56884764

IUPACN-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1)c1ccon1
InChIInChI=1S/C18H18N6O2/c25-17(16-6-10-26-24-16)21-13-1-2-14(11-13)22-18-20-9-5-15(23-18)12-3-7-19-8-4-12/h3-10,13-14H,1-2,11H2,(H,21,25)(H,20,22,23)/t13-,14-/m0/s1
InChIKeyIJQVSBGQEJLNAL-KBPBESRZSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds5

About N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide

N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide (PubChem CID 56884764) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
PubChem CID56884764
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1)c1ccon1
InChIInChI=1S/C18H18N6O2/c25-17(16-6-10-26-24-16)21-13-1-2-14(11-13)22-18-20-9-5-15(23-18)12-3-7-19-8-4-12/h3-10,13-14H,1-2,11H2,(H,21,25)(H,20,22,23)/t13-,14-/m0/s1
InChIKeyIJQVSBGQEJLNAL-KBPBESRZSA-N
XLogP2.29
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
CID 56882621
N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
CID 56912752
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 56891500
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719
N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide
CID 126648400
2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
CID 133110462
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56883043
N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide (CID 56884764) is N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1)c1ccon1.
What is the InChIKey of N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IJQVSBGQEJLNAL-KBPBESRZSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(16-6-10-26-24-16)21-13-1-2-14(11-13)22-18-20-9-5-15(23-18)12-3-7-19-8-4-12/h3-10,13-14H,1-2,11H2,(H,21,25)(H,20,22,23)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide?
N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56884764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).