N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C19H30N4O3 — CID 72893089

IUPACN-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1CC1CCCC1
InChIInChI=1S/C19H30N4O3/c1-3-22(4-2)19(25)17-11-15(20-18(24)16-9-10-26-21-16)13-23(17)12-14-7-5-6-8-14/h9-10,14-15,17H,3-8,11-13H2,1-2H3,(H,20,24)/t15-,17+/m1/s1
InChIKeyKHZLLADUIHEZNM-WBVHZDCISA-N
MW362.47 g/mol
LogP1.91
Rot. Bonds7

About N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 72893089) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID72893089
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1CC1CCCC1
InChIInChI=1S/C19H30N4O3/c1-3-22(4-2)19(25)17-11-15(20-18(24)16-9-10-26-21-16)13-23(17)12-14-7-5-6-8-14/h9-10,14-15,17H,3-8,11-13H2,1-2H3,(H,20,24)/t15-,17+/m1/s1
InChIKeyKHZLLADUIHEZNM-WBVHZDCISA-N
XLogP1.91
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 72893089) is N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1CC1CCCC1.
What is the InChIKey of N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KHZLLADUIHEZNM-WBVHZDCISA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-22(4-2)19(25)17-11-15(20-18(24)16-9-10-26-21-16)13-23(17)12-14-7-5-6-8-14/h9-10,14-15,17H,3-8,11-13H2,1-2H3,(H,20,24)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(cyclopentylmethyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72893089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).