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

C13H18N4O2S — CID 75462199

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)N(C)Cc2c(C)noc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-8-12(9(2)19-16-8)7-17(4)13(18)15-6-11-5-14-10(3)20-11/h5H,6-7H2,1-4H3,(H,15,18)
InChIKeyGMUPOVHTVZHQJU-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.40
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 75462199) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID75462199
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)N(C)Cc2c(C)noc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-8-12(9(2)19-16-8)7-17(4)13(18)15-6-11-5-14-10(3)20-11/h5H,6-7H2,1-4H3,(H,15,18)
InChIKeyGMUPOVHTVZHQJU-UHFFFAOYSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115604557
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47209103
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 146084461
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 55794546
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
CID 86831379
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 75462199) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)N(C)Cc2c(C)noc2C)s1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is GMUPOVHTVZHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-12(9(2)19-16-8)7-17(4)13(18)15-6-11-5-14-10(3)20-11/h5H,6-7H2,1-4H3,(H,15,18).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 294.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 75462199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).