(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C19H21N3O3 — CID 118769027

IUPAC(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)[C@H]3[C@@H](N)[C@H]4C=C[C@@H]3C4)on2)c1
InChIInChI=1S/C19H21N3O3/c1-24-14-4-2-3-11(8-14)16-9-15(25-22-16)10-21-19(23)17-12-5-6-13(7-12)18(17)20/h2-6,8-9,12-13,17-18H,7,10,20H2,1H3,(H,21,23)/t12-,13+,17-,18+/m1/s1
InChIKeyFIZSXDXYRPSKIB-OBQMCUGOSA-N
MW339.40 g/mol
LogP2.12
Rot. Bonds5

About (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 118769027) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID118769027
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)[C@H]3[C@@H](N)[C@H]4C=C[C@@H]3C4)on2)c1
InChIInChI=1S/C19H21N3O3/c1-24-14-4-2-3-11(8-14)16-9-15(25-22-16)10-21-19(23)17-12-5-6-13(7-12)18(17)20/h2-6,8-9,12-13,17-18H,7,10,20H2,1H3,(H,21,23)/t12-,13+,17-,18+/m1/s1
InChIKeyFIZSXDXYRPSKIB-OBQMCUGOSA-N
XLogP2.12
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97127802
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154903600
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
(1R,9S)-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172670481
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 137334221
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 118769027) is (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is COc1cccc(-c2cc(CNC(=O)[C@H]3[C@@H](N)[C@H]4C=C[C@@H]3C4)on2)c1.
What is the InChIKey of (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is FIZSXDXYRPSKIB-OBQMCUGOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-14-4-2-3-11(8-14)16-9-15(25-22-16)10-21-19(23)17-12-5-6-13(7-12)18(17)20/h2-6,8-9,12-13,17-18H,7,10,20H2,1H3,(H,21,23)/t12-,13+,17-,18+/m1/s1.
What are the key properties of (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 118769027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).