N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide

C19H25N3O4 — CID 91762820

IUPACN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
SMILESCc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccccn1
InChIInChI=1S/C19H25N3O4/c1-13-16(14(2)26-22-13)11-25-18-8-10-24-12-17(18)21-19(23)7-6-15-5-3-4-9-20-15/h3-5,9,17-18H,6-8,10-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyNPSHBOJWOGRGII-MSOLQXFVSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds7

About N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide (PubChem CID 91762820) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
PubChem CID91762820
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
SMILESCc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccccn1
InChIInChI=1S/C19H25N3O4/c1-13-16(14(2)26-22-13)11-25-18-8-10-24-12-17(18)21-19(23)7-6-15-5-3-4-9-20-15/h3-5,9,17-18H,6-8,10-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyNPSHBOJWOGRGII-MSOLQXFVSA-N
XLogP2.11
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 133267712
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
CID 91798363
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91760952
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide (CID 91762820) is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide is Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccccn1.
What is the InChIKey of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is NPSHBOJWOGRGII-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-16(14(2)26-22-13)11-25-18-8-10-24-12-17(18)21-19(23)7-6-15-5-3-4-9-20-15/h3-5,9,17-18H,6-8,10-12H2,1-2H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide?
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 359.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 91762820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).