2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide

C23H28N4O3 — CID 171719126

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](Oc4ccccc4C(C)C)C3)[nH]n2)on1
InChIInChI=1S/C23H28N4O3/c1-14(2)19-6-4-5-7-21(19)29-17-9-8-16(11-17)20-13-22(26-25-20)24-23(28)12-18-10-15(3)27-30-18/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3,(H2,24,25,26,28)/t16-,17+/m1/s1
InChIKeyHRDXIKIJFHZJQB-SJORKVTESA-N
MW408.50 g/mol
LogP4.73
Rot. Bonds7

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 171719126) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide
PubChem CID171719126
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](Oc4ccccc4C(C)C)C3)[nH]n2)on1
InChIInChI=1S/C23H28N4O3/c1-14(2)19-6-4-5-7-21(19)29-17-9-8-16(11-17)20-13-22(26-25-20)24-23(28)12-18-10-15(3)27-30-18/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3,(H2,24,25,26,28)/t16-,17+/m1/s1
InChIKeyHRDXIKIJFHZJQB-SJORKVTESA-N
XLogP4.73
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 171719126) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](Oc4ccccc4C(C)C)C3)[nH]n2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is HRDXIKIJFHZJQB-SJORKVTESA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14(2)19-6-4-5-7-21(19)29-17-9-8-16(11-17)20-13-22(26-25-20)24-23(28)12-18-10-15(3)27-30-18/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3,(H2,24,25,26,28)/t16-,17+/m1/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 171719126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).