N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

C17H16N2O4 — CID 176969044

IUPACN-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1c(-c2cc(C(=O)N(C)OC)no2)ccc2ccccc12
InChIInChI=1S/C17H16N2O4/c1-19(22-3)17(20)14-10-15(23-18-14)13-9-8-11-6-4-5-7-12(11)16(13)21-2/h4-10H,1-3H3
InChIKeyVQUYNQVMGQXTAF-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.14
Rot. Bonds4

About N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 176969044) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID176969044
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1c(-c2cc(C(=O)N(C)OC)no2)ccc2ccccc12
InChIInChI=1S/C17H16N2O4/c1-19(22-3)17(20)14-10-15(23-18-14)13-9-8-11-6-4-5-7-12(11)16(13)21-2/h4-10H,1-3H3
InChIKeyVQUYNQVMGQXTAF-UHFFFAOYSA-N
XLogP3.14
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 91949636
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 22891672
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
CID 135294171

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (CID 176969044) is N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is COc1c(-c2cc(C(=O)N(C)OC)no2)ccc2ccccc12.
What is the InChIKey of N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VQUYNQVMGQXTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19(22-3)17(20)14-10-15(23-18-14)13-9-8-11-6-4-5-7-12(11)16(13)21-2/h4-10H,1-3H3.
What are the key properties of N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 176969044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).