5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide

C18H21N3O4 — CID 91784370

IUPAC5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ncoc1C1CC1
InChIInChI=1S/C18H21N3O4/c22-18(16-17(12-4-5-12)25-11-20-16)21-14-10-23-8-6-15(14)24-9-13-3-1-2-7-19-13/h1-3,7,11-12,14-15H,4-6,8-10H2,(H,21,22)/t14-,15-/m1/s1
InChIKeyJWSNLQZCYPAWSU-HUUCEWRRSA-N
MW343.38 g/mol
LogP2.05
Rot. Bonds6

About 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 91784370) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID91784370
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ncoc1C1CC1
InChIInChI=1S/C18H21N3O4/c22-18(16-17(12-4-5-12)25-11-20-16)21-14-10-23-8-6-15(14)24-9-13-3-1-2-7-19-13/h1-3,7,11-12,14-15H,4-6,8-10H2,(H,21,22)/t14-,15-/m1/s1
InChIKeyJWSNLQZCYPAWSU-HUUCEWRRSA-N
XLogP2.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
CID 91767547
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 91783413
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
1-[(4-fluorophenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91764941
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide (CID 91784370) is 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide is O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JWSNLQZCYPAWSU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-18(16-17(12-4-5-12)25-11-20-16)21-14-10-23-8-6-15(14)24-9-13-3-1-2-7-19-13/h1-3,7,11-12,14-15H,4-6,8-10H2,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91784370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).