N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide

C17H18N4O4S — CID 110351049

IUPACN-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCn1c(=O)oc2cc(-c3csc(CNC(=O)N4CCOCC4)n3)ccc21
InChIInChI=1S/C17H18N4O4S/c1-20-13-3-2-11(8-14(13)25-17(20)23)12-10-26-15(19-12)9-18-16(22)21-4-6-24-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,18,22)
InChIKeyJBNIUGOJACDIEM-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.80
Rot. Bonds3

About N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide

N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 110351049) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID110351049
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCn1c(=O)oc2cc(-c3csc(CNC(=O)N4CCOCC4)n3)ccc21
InChIInChI=1S/C17H18N4O4S/c1-20-13-3-2-11(8-14(13)25-17(20)23)12-10-26-15(19-12)9-18-16(22)21-4-6-24-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,18,22)
InChIKeyJBNIUGOJACDIEM-UHFFFAOYSA-N
XLogP1.80
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
2-[(1,4-oxazepane-4-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379791
6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
2-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379762
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111375388
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111046238
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide (CID 110351049) is N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide is Cn1c(=O)oc2cc(-c3csc(CNC(=O)N4CCOCC4)n3)ccc21.
What is the InChIKey of N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is JBNIUGOJACDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-20-13-3-2-11(8-14(13)25-17(20)23)12-10-26-15(19-12)9-18-16(22)21-4-6-24-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,18,22).
What are the key properties of N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 110351049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).