N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

C17H27N3O2 — CID 72918063

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)14-8-20(7-13-5-4-6-13)9-15(14)19-17(21)16-12(3)22-10-18-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyQEEIDONXKIMWGL-CABCVRRESA-N
MW305.42 g/mol
LogP2.47
Rot. Bonds5

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 72918063) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID72918063
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)14-8-20(7-13-5-4-6-13)9-15(14)19-17(21)16-12(3)22-10-18-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyQEEIDONXKIMWGL-CABCVRRESA-N
XLogP2.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 72918063) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is QEEIDONXKIMWGL-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)14-8-20(7-13-5-4-6-13)9-15(14)19-17(21)16-12(3)22-10-18-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72918063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).