N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide

C19H24FN3O5 — CID 110157926

IUPACN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO
InChIInChI=1S/C19H24FN3O5/c1-11-16(21-10-27-11)19(26)22-14-9-15(18(25)17(14)23(2)6-7-24)28-13-5-3-4-12(20)8-13/h3-5,8,10,14-15,17-18,24-25H,6-7,9H2,1-2H3,(H,22,26)/t14-,15-,17+,18+/m1/s1
InChIKeyDPBYJONCIBAVGU-LMSBXDPUSA-N
MW393.42 g/mol
LogP0.73
Rot. Bonds7

About N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 110157926) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID110157926
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC NameN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO
InChIInChI=1S/C19H24FN3O5/c1-11-16(21-10-27-11)19(26)22-14-9-15(18(25)17(14)23(2)6-7-24)28-13-5-3-4-12(20)8-13/h3-5,8,10,14-15,17-18,24-25H,6-7,9H2,1-2H3,(H,22,26)/t14-,15-,17+,18+/m1/s1
InChIKeyDPBYJONCIBAVGU-LMSBXDPUSA-N
XLogP0.73
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide
CID 110157956
3-[[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2-[(4-fluorophenyl)methyl-methylamino]-3-hydroxycyclopentyl]carbamoyl]benzoic acid
CID 110148132
N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 110157911
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-pyridin-3-ylacetamide
CID 110158519
N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129479935
tert-butyl N-[(1R,2S,3R,4R)-4-(4-fluorophenoxy)-3-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]cyclopentyl]carbamate
CID 110155556
tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-2-[methyl-[(2-methylphenyl)methyl]amino]-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]carbamate
CID 110146233
3-[(3R,4R)-4-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-3-yl]oxybenzoic acid
CID 110146718
tert-butyl N-[(1R,2S,3R,4R)-4-(3-chloro-4-fluorophenoxy)-3-hydroxy-2-[methyl(2-phenylethyl)amino]cyclopentyl]carbamate
CID 129453726
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
CID 155901938
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
CID 110157359

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 110157926) is N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO.
What is the InChIKey of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DPBYJONCIBAVGU-LMSBXDPUSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-11-16(21-10-27-11)19(26)22-14-9-15(18(25)17(14)23(2)6-7-24)28-13-5-3-4-12(20)8-13/h3-5,8,10,14-15,17-18,24-25H,6-7,9H2,1-2H3,(H,22,26)/t14-,15-,17+,18+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110157926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).