N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C23H21N3O3S — CID 9453874

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)ccc2o1
InChIInChI=1S/C23H21N3O3S/c1-15-24-19-13-17(7-8-20(19)29-15)25-22(27)21-14-18(16-5-3-2-4-6-16)23(30-21)26-9-11-28-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,25,27)
InChIKeyHPRYPVQTGSGVRS-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.95
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 9453874) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID9453874
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)ccc2o1
InChIInChI=1S/C23H21N3O3S/c1-15-24-19-13-17(7-8-20(19)29-15)25-22(27)21-14-18(16-5-3-2-4-6-16)23(30-21)26-9-11-28-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,25,27)
InChIKeyHPRYPVQTGSGVRS-UHFFFAOYSA-N
XLogP4.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71881584
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 24659557
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 166194797
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55722848
1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide
CID 118618295
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 9453874) is N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1nc2cc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is HPRYPVQTGSGVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-24-19-13-17(7-8-20(19)29-15)25-22(27)21-14-18(16-5-3-2-4-6-16)23(30-21)26-9-11-28-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,25,27).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 9453874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).