N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide

C20H21N3O3 — CID 42768904

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)CN(C(=O)c2cccc3ccccc23)C(C)C)no1
InChIInChI=1S/C20H21N3O3/c1-13(2)23(12-19(24)21-18-11-14(3)26-22-18)20(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-11,13H,12H2,1-3H3,(H,21,22,24)
InChIKeyFKSFRRNDUUEPES-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide (PubChem CID 42768904) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
PubChem CID42768904
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)CN(C(=O)c2cccc3ccccc23)C(C)C)no1
InChIInChI=1S/C20H21N3O3/c1-13(2)23(12-19(24)21-18-11-14(3)26-22-18)20(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-11,13H,12H2,1-3H3,(H,21,22,24)
InChIKeyFKSFRRNDUUEPES-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42768895
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3648005
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 3430377
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
2-chloro-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4126434
2-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4054313
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042
2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099602
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55607599
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide (CID 42768904) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide is Cc1cc(NC(=O)CN(C(=O)c2cccc3ccccc23)C(C)C)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The InChIKey is FKSFRRNDUUEPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)23(12-19(24)21-18-11-14(3)26-22-18)20(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-11,13H,12H2,1-3H3,(H,21,22,24).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 42768904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).