N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C20H25N3O3 — CID 131945336

IUPACN-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1c(NC(=O)c2cc(C(C)C)no2)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C20H25N3O3/c1-12(2)17-11-18(26-23-17)20(25)22-16-10-6-9-15(13(16)3)21-19(24)14-7-4-5-8-14/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFNVPPPZRZPXSBU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.49
Rot. Bonds5

About N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 131945336) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID131945336
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1c(NC(=O)c2cc(C(C)C)no2)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C20H25N3O3/c1-12(2)17-11-18(26-23-17)20(25)22-16-10-6-9-15(13(16)3)21-19(24)14-7-4-5-8-14/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFNVPPPZRZPXSBU-UHFFFAOYSA-N
XLogP4.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 131945336) is N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1c(NC(=O)c2cc(C(C)C)no2)cccc1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is FNVPPPZRZPXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12(2)17-11-18(26-23-17)20(25)22-16-10-6-9-15(13(16)3)21-19(24)14-7-4-5-8-14/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131945336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).