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

C11H19N3O2 — CID 103752681

IUPAC1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(C)(C)C)oc1C
InChIInChI=1S/C11H19N3O2/c1-7-8(2)16-9(13-7)6-12-10(15)14-11(3,4)5/h6H2,1-5H3,(H2,12,14,15)
InChIKeyWHKIHDAOKJKQCS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.89
Rot. Bonds2

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

1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 103752681) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID103752681
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(C)(C)C)oc1C
InChIInChI=1S/C11H19N3O2/c1-7-8(2)16-9(13-7)6-12-10(15)14-11(3,4)5/h6H2,1-5H3,(H2,12,14,15)
InChIKeyWHKIHDAOKJKQCS-UHFFFAOYSA-N
XLogP1.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
CID 47360072
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
CID 114180290
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106370228

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 103752681) is 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is Cc1nc(CNC(=O)NC(C)(C)C)oc1C.
What is the InChIKey of 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is WHKIHDAOKJKQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-8(2)16-9(13-7)6-12-10(15)14-11(3,4)5/h6H2,1-5H3,(H2,12,14,15).
What are the key properties of 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 225.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 103752681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).