N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H23N3O4 — CID 110125760

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1noc2c1CCCC2
InChIInChI=1S/C19H23N3O4/c23-18-14(7-3-9-16(18)25-12-5-4-10-20-11-12)21-19(24)17-13-6-1-2-8-15(13)26-22-17/h4-5,10-11,14,16,18,23H,1-3,6-9H2,(H,21,24)/t14-,16-,18-/m1/s1
InChIKeyJXJDIMDETJBFLS-QGPMSJSTSA-N
MW357.41 g/mol
LogP2.04
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 110125760) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID110125760
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1noc2c1CCCC2
InChIInChI=1S/C19H23N3O4/c23-18-14(7-3-9-16(18)25-12-5-4-10-20-11-12)21-19(24)17-13-6-1-2-8-15(13)26-22-17/h4-5,10-11,14,16,18,23H,1-3,6-9H2,(H,21,24)/t14-,16-,18-/m1/s1
InChIKeyJXJDIMDETJBFLS-QGPMSJSTSA-N
XLogP2.04
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125354
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide
CID 110125755
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 110158791
N-(2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59159975
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 121177590
N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
CID 155901349
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110125792
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 154758302
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157409

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 110125760) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1noc2c1CCCC2.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is JXJDIMDETJBFLS-QGPMSJSTSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18-14(7-3-9-16(18)25-12-5-4-10-20-11-12)21-19(24)17-13-6-1-2-8-15(13)26-22-17/h4-5,10-11,14,16,18,23H,1-3,6-9H2,(H,21,24)/t14-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 110125760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).