N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C17H23N5O3 — CID 124980268

IUPACN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)on1
InChIInChI=1S/C17H23N5O3/c1-12(2)13-9-14(25-21-13)15(23)20-10-17(24)5-3-8-22(11-17)16-18-6-4-7-19-16/h4,6-7,9,12,24H,3,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyMHNIXLOREHWFRJ-KRWDZBQOSA-N
MW345.40 g/mol
LogP1.35
Rot. Bonds5

About N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 124980268) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID124980268
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)on1
InChIInChI=1S/C17H23N5O3/c1-12(2)13-9-14(25-21-13)15(23)20-10-17(24)5-3-8-22(11-17)16-18-6-4-7-19-16/h4,6-7,9,12,24H,3,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyMHNIXLOREHWFRJ-KRWDZBQOSA-N
XLogP1.35
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124997099
3-ethyl-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 110123666
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
CID 124996932
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124947808
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-(methoxymethyl)benzamide
CID 124962659
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125027161
4-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]-4-oxobutanoic acid
CID 124963417
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124963569
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 124980268) is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)on1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is MHNIXLOREHWFRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)13-9-14(25-21-13)15(23)20-10-17(24)5-3-8-22(11-17)16-18-6-4-7-19-16/h4,6-7,9,12,24H,3,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124980268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).