1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

C10H15N3O2 — CID 47850579

IUPAC1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)NC1CC1
InChIInChI=1S/C10H15N3O2/c1-6-9(7(2)15-13-6)5-11-10(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyUCQDHJQUVSTANN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.25
Rot. Bonds3

About 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 47850579) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID47850579
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)NC1CC1
InChIInChI=1S/C10H15N3O2/c1-6-9(7(2)15-13-6)5-11-10(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyUCQDHJQUVSTANN-UHFFFAOYSA-N
XLogP1.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95144868
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 97314358
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 79241619
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (CID 47850579) is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is Cc1noc(C)c1CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is UCQDHJQUVSTANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(7(2)15-13-6)5-11-10(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 209.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 47850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).