phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate

C18H18N4O4S — CID 58055074

IUPACphenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C18H18N4O4S/c1-11-15(12(2)26-21-11)16(23)22(3)9-13-10-27-17(19-13)20-18(24)25-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,24)
InChIKeyDLYXAKPWJRDBLV-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.63
Rot. Bonds5

About phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate

phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 58055074) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID58055074
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Namephenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C18H18N4O4S/c1-11-15(12(2)26-21-11)16(23)22(3)9-13-10-27-17(19-13)20-18(24)25-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,24)
InChIKeyDLYXAKPWJRDBLV-UHFFFAOYSA-N
XLogP3.63
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 25205329
N-(2-aminoethyl)-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 87095299
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47919461
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 87095156
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 23728068
N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 47863573
4-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 172702849
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate (CID 58055074) is phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate is Cc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is DLYXAKPWJRDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-15(12(2)26-21-11)16(23)22(3)9-13-10-27-17(19-13)20-18(24)25-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,24).
What are the key properties of phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 386.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 58055074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).