N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

C17H20N2O4 — CID 110158764

IUPACN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C17H20N2O4/c1-11-16(22-10-18-11)17(21)19(2)13-8-9-14(15(13)20)23-12-6-4-3-5-7-12/h3-7,10,13-15,20H,8-9H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyASJAGNQWTRMNMR-RBSFLKMASA-N
MW316.36 g/mol
LogP2.03
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 110158764) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID110158764
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C17H20N2O4/c1-11-16(22-10-18-11)17(21)19(2)13-8-9-14(15(13)20)23-12-6-4-3-5-7-12/h3-7,10,13-15,20H,8-9H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyASJAGNQWTRMNMR-RBSFLKMASA-N
XLogP2.03
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
4-(2-aminoethyl)-N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylbenzamide
CID 110147140
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145732
N-benzyl-N-methyl-2-[(3S,4S)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypiperidin-3-yl]acetamide
CID 110077968
N-[(1R,2S,3S)-3-(3-fluorophenoxy)-2-hydroxycyclohexyl]-N,4-dimethylpyrimidine-5-carboxamide
CID 110146827
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110126061
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166179
(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
CID 110146435

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 110158764) is N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ASJAGNQWTRMNMR-RBSFLKMASA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-16(22-10-18-11)17(21)19(2)13-8-9-14(15(13)20)23-12-6-4-3-5-7-12/h3-7,10,13-15,20H,8-9H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110158764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).