2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C18H22N4O5 — CID 42771751

IUPAC2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)Nc2ccon2)CC2CCCO2)c1
InChIInChI=1S/C18H22N4O5/c1-25-14-5-2-4-13(10-14)19-18(24)22(11-15-6-3-8-26-15)12-17(23)20-16-7-9-27-21-16/h2,4-5,7,9-10,15H,3,6,8,11-12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyUUAAEOMGLBKWKJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.33
Rot. Bonds7

About 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42771751) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42771751
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)Nc2ccon2)CC2CCCO2)c1
InChIInChI=1S/C18H22N4O5/c1-25-14-5-2-4-13(10-14)19-18(24)22(11-15-6-3-8-26-15)12-17(23)20-16-7-9-27-21-16/h2,4-5,7,9-10,15H,3,6,8,11-12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyUUAAEOMGLBKWKJ-UHFFFAOYSA-N
XLogP2.33
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4163444
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
CID 4199477
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42771751) is 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide is COc1cccc(NC(=O)N(CC(=O)Nc2ccon2)CC2CCCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is UUAAEOMGLBKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-25-14-5-2-4-13(10-14)19-18(24)22(11-15-6-3-8-26-15)12-17(23)20-16-7-9-27-21-16/h2,4-5,7,9-10,15H,3,6,8,11-12H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42771751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).