1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea

C17H21N5O3S — CID 72901885

IUPAC1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea
SMILESCCSc1nc2ccc(NC(=O)N(CC)Cc3nnc(CC)o3)cc2o1
InChIInChI=1S/C17H21N5O3S/c1-4-14-20-21-15(25-14)10-22(5-2)16(23)18-11-7-8-12-13(9-11)24-17(19-12)26-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,23)
InChIKeyMMNVZCMWCGMUIP-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.94
Rot. Bonds7

About 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea

1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea (PubChem CID 72901885) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea
PubChem CID72901885
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea
SMILESCCSc1nc2ccc(NC(=O)N(CC)Cc3nnc(CC)o3)cc2o1
InChIInChI=1S/C17H21N5O3S/c1-4-14-20-21-15(25-14)10-22(5-2)16(23)18-11-7-8-12-13(9-11)24-17(19-12)26-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,23)
InChIKeyMMNVZCMWCGMUIP-UHFFFAOYSA-N
XLogP3.94
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea with MolForge

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Related Compounds

3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118788203
N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72892064
(2R)-N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 72886864
3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 9076180
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 72930844
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55312472
N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 118768417
3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
CID 108885600
3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 72887563
N-(2,3-dihydro-1H-inden-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]propanamide
CID 118784805
2-ethylsulfanyl-6-nitro-1,3-benzoxazole
CID 122707413
2-[(2-ethyl-1,3-benzoxazol-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607856

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea (CID 72901885) is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea is CCSc1nc2ccc(NC(=O)N(CC)Cc3nnc(CC)o3)cc2o1.
What is the InChIKey of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is MMNVZCMWCGMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-4-14-20-21-15(25-14)10-22(5-2)16(23)18-11-7-8-12-13(9-11)24-17(19-12)26-6-3/h7-9H,4-6,10H2,1-3H3,(H,18,23).
What are the key properties of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea?
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 375.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 72901885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).