1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea

C9H15N3O2 — CID 110747518

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
SMILESCc1cc(CNC(=O)NC(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)11-9(13)10-5-8-4-7(3)14-12-8/h4,6H,5H2,1-3H3,(H2,10,11,13)
InChIKeyYKMVSOIBVQMCHA-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.19
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea (PubChem CID 110747518) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
PubChem CID110747518
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
SMILESCc1cc(CNC(=O)NC(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)11-9(13)10-5-8-4-7(3)14-12-8/h4,6H,5H2,1-3H3,(H2,10,11,13)
InChIKeyYKMVSOIBVQMCHA-UHFFFAOYSA-N
XLogP1.19
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856
1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 97251637
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 63122936
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 95170555

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea (CID 110747518) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea is Cc1cc(CNC(=O)NC(C)C)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea?
The InChIKey is YKMVSOIBVQMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)11-9(13)10-5-8-4-7(3)14-12-8/h4,6H,5H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea has a molecular weight of 197.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110747518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).