N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide

C24H27N3O3S — CID 46028627

IUPACN-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2cccs2)c1
InChIInChI=1S/C24H27N3O3S/c1-17-4-2-5-19(14-17)22-20(24(30-25-22)26-9-11-29-12-10-26)16-27(15-18-7-8-18)23(28)21-6-3-13-31-21/h2-6,13-14,18H,7-12,15-16H2,1H3
InChIKeyGCJSMFBQMLKCLZ-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.60
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide

N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 46028627) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID46028627
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2cccs2)c1
InChIInChI=1S/C24H27N3O3S/c1-17-4-2-5-19(14-17)22-20(24(30-25-22)26-9-11-29-12-10-26)16-27(15-18-7-8-18)23(28)21-6-3-13-31-21/h2-6,13-14,18H,7-12,15-16H2,1H3
InChIKeyGCJSMFBQMLKCLZ-UHFFFAOYSA-N
XLogP4.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide (CID 46028627) is N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide is Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2cccs2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GCJSMFBQMLKCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-4-2-5-19(14-17)22-20(24(30-25-22)26-9-11-29-12-10-26)16-27(15-18-7-8-18)23(28)21-6-3-13-31-21/h2-6,13-14,18H,7-12,15-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide?
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46028627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).