N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide

C19H21N3O3S — CID 110351062

IUPACN-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)C1CCCCC1
InChIInChI=1S/C19H21N3O3S/c23-18(12-4-2-1-3-5-12)20-9-8-17-21-15(11-26-17)13-6-7-14-16(10-13)25-19(24)22-14/h6-7,10-12H,1-5,8-9H2,(H,20,23)(H,22,24)
InChIKeyYDYCLZPUJIBWAD-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 110351062) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID110351062
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)C1CCCCC1
InChIInChI=1S/C19H21N3O3S/c23-18(12-4-2-1-3-5-12)20-9-8-17-21-15(11-26-17)13-6-7-14-16(10-13)25-19(24)22-14/h6-7,10-12H,1-5,8-9H2,(H,20,23)(H,22,24)
InChIKeyYDYCLZPUJIBWAD-UHFFFAOYSA-N
XLogP3.48
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide with MolForge

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Related Compounds

1-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylurea
CID 110351085
N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylpropanamide
CID 110351082
3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110351076
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110665286
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]cyclohexanecarboxamide
CID 110393760
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 167799143
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide (CID 110351062) is N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide is O=C(NCCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is YDYCLZPUJIBWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18(12-4-2-1-3-5-12)20-9-8-17-21-15(11-26-17)13-6-7-14-16(10-13)25-19(24)22-14/h6-7,10-12H,1-5,8-9H2,(H,20,23)(H,22,24).
What are the key properties of N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110351062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).