N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C14H16N4O3 — CID 124939962

IUPACN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1
InChIKeyACXCMFUGOSOGKS-JTQLQIEISA-N
MW288.31 g/mol
LogP1.29
Rot. Bonds4

About N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 124939962) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID124939962
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1
InChIKeyACXCMFUGOSOGKS-JTQLQIEISA-N
XLogP1.29
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97392176
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)isoxazole-5-carboxamide
CID 91814077
N-[(4aS,8R,8aS)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-1,2-oxazole-5-carboxamide
CID 97387578
N-[[(7R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124781950
N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124781951
N-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889597
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131659989
[3-[(5-Fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 134074870
2-isobutyl-6-(isoxazol-5-ylcarbonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56747893
isoxazol-5-yl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264544
7-(1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153366
3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 39540809

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 124939962) is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1.
What is the InChIKey of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ACXCMFUGOSOGKS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).