1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea

C16H18N4O2 — CID 56825839

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H18N4O2/c1-10-13(11(2)22-19-10)9-20(3)16(21)18-15-6-4-5-14-12(15)7-8-17-14/h4-8,17H,9H2,1-3H3,(H,18,21)
InChIKeyRKUMMZJQHAHHLY-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea (PubChem CID 56825839) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
PubChem CID56825839
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H18N4O2/c1-10-13(11(2)22-19-10)9-20(3)16(21)18-15-6-4-5-14-12(15)7-8-17-14/h4-8,17H,9H2,1-3H3,(H,18,21)
InChIKeyRKUMMZJQHAHHLY-UHFFFAOYSA-N
XLogP3.44
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
CID 71888766
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
CID 118763789
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39351756
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 99696852
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea (CID 56825839) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea is Cc1noc(C)c1CN(C)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea?
The InChIKey is RKUMMZJQHAHHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-13(11(2)22-19-10)9-20(3)16(21)18-15-6-4-5-14-12(15)7-8-17-14/h4-8,17H,9H2,1-3H3,(H,18,21).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea has a molecular weight of 298.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea is sourced from PubChem (CID 56825839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).