N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide

C17H18N2O3S — CID 138034221

IUPACN-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CCc2ccon2)s1
InChIInChI=1S/C17H18N2O3S/c1-13-4-6-16(23-13)12-19(11-15-3-2-9-21-15)17(20)7-5-14-8-10-22-18-14/h2-4,6,8-10H,5,7,11-12H2,1H3
InChIKeyRSPNRLZVNCEFOS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.80
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide

N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide (PubChem CID 138034221) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
PubChem CID138034221
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CCc2ccon2)s1
InChIInChI=1S/C17H18N2O3S/c1-13-4-6-16(23-13)12-19(11-15-3-2-9-21-15)17(20)7-5-14-8-10-22-18-14/h2-4,6,8-10H,5,7,11-12H2,1H3
InChIKeyRSPNRLZVNCEFOS-UHFFFAOYSA-N
XLogP3.80
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 86944481
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094
N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 48866039
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 48866071
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3938359
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide (CID 138034221) is N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide is Cc1ccc(CN(Cc2ccco2)C(=O)CCc2ccon2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide?
The InChIKey is RSPNRLZVNCEFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-4-6-16(23-13)12-19(11-15-3-2-9-21-15)17(20)7-5-14-8-10-22-18-14/h2-4,6,8-10H,5,7,11-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide?
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.80, 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-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 138034221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).