1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea

C17H21N5O3 — CID 72906344

IUPAC1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
SMILESCc1cc2c(cc1NC(=O)N(C)C(C)c1ccon1)n(C)c(=O)n2C
InChIInChI=1S/C17H21N5O3/c1-10-8-14-15(22(5)17(24)21(14)4)9-13(10)18-16(23)20(3)11(2)12-6-7-25-19-12/h6-9,11H,1-5H3,(H,18,23)
InChIKeyKTJZEASMGWIRTH-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.40
Rot. Bonds3

About 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea

1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea (PubChem CID 72906344) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
PubChem CID72906344
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
SMILESCc1cc2c(cc1NC(=O)N(C)C(C)c1ccon1)n(C)c(=O)n2C
InChIInChI=1S/C17H21N5O3/c1-10-8-14-15(22(5)17(24)21(14)4)9-13(10)18-16(23)20(3)11(2)12-6-7-25-19-12/h6-9,11H,1-5H3,(H,18,23)
InChIKeyKTJZEASMGWIRTH-UHFFFAOYSA-N
XLogP2.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
CID 97279827
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 51584725
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45208387
5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 46971327
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
(3aR,7aS)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 74230992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The IUPAC name of 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea (CID 72906344) is 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea is Cc1cc2c(cc1NC(=O)N(C)C(C)c1ccon1)n(C)c(=O)n2C.
What is the InChIKey of 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The InChIKey is KTJZEASMGWIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10-8-14-15(22(5)17(24)21(14)4)9-13(10)18-16(23)20(3)11(2)12-6-7-25-19-12/h6-9,11H,1-5H3,(H,18,23).
What are the key properties of 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea has a molecular weight of 343.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea is sourced from PubChem (CID 72906344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).