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

C15H25N3O2 — CID 146364145

IUPACN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
SMILESCC(C)c1coc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1
InChIInChI=1S/C15H25N3O2/c1-9(2)13-8-20-15(17-13)14(19)16-12-7-18(10(3)4)6-11(12)5/h8-12H,6-7H2,1-5H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyXAGCWYMREZFTRM-NWDGAFQWSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds4

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

N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide (PubChem CID 146364145) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
PubChem CID146364145
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
SMILESCC(C)c1coc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1
InChIInChI=1S/C15H25N3O2/c1-9(2)13-8-20-15(17-13)14(19)16-12-7-18(10(3)4)6-11(12)5/h8-12H,6-7H2,1-5H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyXAGCWYMREZFTRM-NWDGAFQWSA-N
XLogP2.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide (CID 146364145) is N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide is CC(C)c1coc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1.
What is the InChIKey of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide?
The InChIKey is XAGCWYMREZFTRM-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(2)13-8-20-15(17-13)14(19)16-12-7-18(10(3)4)6-11(12)5/h8-12H,6-7H2,1-5H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide?
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 146364145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).