(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

C16H18ClN3O3 — CID 154815849

IUPAC(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1O
InChIInChI=1S/C16H18ClN3O3/c17-11-3-1-9(2-4-11)14-7-12(23-20-14)8-19-16(22)10-5-13(18)15(21)6-10/h1-4,7,10,13,15,21H,5-6,8,18H2,(H,19,22)/t10-,13-,15-/m0/s1
InChIKeyACLKCFZXNTXRPE-XEGUGMAKSA-N
MW335.79 g/mol
LogP1.71
Rot. Bonds4

About (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 154815849) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID154815849
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1O
InChIInChI=1S/C16H18ClN3O3/c17-11-3-1-9(2-4-11)14-7-12(23-20-14)8-19-16(22)10-5-13(18)15(21)6-10/h1-4,7,10,13,15,21H,5-6,8,18H2,(H,19,22)/t10-,13-,15-/m0/s1
InChIKeyACLKCFZXNTXRPE-XEGUGMAKSA-N
XLogP1.71
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818526
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide
CID 163952439
methyl (2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99706083
N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347878
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422279
[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134018458
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
CID 82371377

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (CID 154815849) is (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is N[C@H]1C[C@H](C(=O)NCc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is ACLKCFZXNTXRPE-XEGUGMAKSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-11-3-1-9(2-4-11)14-7-12(23-20-14)8-19-16(22)10-5-13(18)15(21)6-10/h1-4,7,10,13,15,21H,5-6,8,18H2,(H,19,22)/t10-,13-,15-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 154815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).