N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide

C21H25N3O3 — CID 42841535

IUPACN-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(C)C(C)C
InChIInChI=1S/C21H25N3O3/c1-15(2)23(4)21-19(20(22-27-21)17-9-6-5-7-10-17)14-24(16(3)25)13-18-11-8-12-26-18/h5-12,15H,13-14H2,1-4H3
InChIKeyNMRCEAJHZJRWHN-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide

N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide (PubChem CID 42841535) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
PubChem CID42841535
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(C)C(C)C
InChIInChI=1S/C21H25N3O3/c1-15(2)23(4)21-19(20(22-27-21)17-9-6-5-7-10-17)14-24(16(3)25)13-18-11-8-12-26-18/h5-12,15H,13-14H2,1-4H3
InChIKeyNMRCEAJHZJRWHN-UHFFFAOYSA-N
XLogP4.33
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 42840156
N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 46023433
N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 24719625
3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46023429
(2S)-1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93208074
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46153491
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557
1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46023923
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-(furan-2-ylmethyl)urea
CID 46023443
N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 51069199
N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42842173

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide (CID 42841535) is N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide is CC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(C)C(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide?
The InChIKey is NMRCEAJHZJRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)23(4)21-19(20(22-27-21)17-9-6-5-7-10-17)14-24(16(3)25)13-18-11-8-12-26-18/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide?
N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide is sourced from PubChem (CID 42841535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).