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

C15H25N3O4 — CID 86283365

IUPACN-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H]1CN(C(CO)CO)C[C@@H]1C(C)C
InChIInChI=1S/C15H25N3O4/c1-9(2)12-4-18(11(6-19)7-20)5-13(12)17-15(21)14-10(3)16-8-22-14/h8-9,11-13,19-20H,4-7H2,1-3H3,(H,17,21)/t12-,13+/m1/s1
InChIKeyPFYXXOPKGGKSCP-OLZOCXBDSA-N
MW311.38 g/mol
LogP0.02
Rot. Bonds6

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

N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 86283365) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID86283365
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H]1CN(C(CO)CO)C[C@@H]1C(C)C
InChIInChI=1S/C15H25N3O4/c1-9(2)12-4-18(11(6-19)7-20)5-13(12)17-15(21)14-10(3)16-8-22-14/h8-9,11-13,19-20H,4-7H2,1-3H3,(H,17,21)/t12-,13+/m1/s1
InChIKeyPFYXXOPKGGKSCP-OLZOCXBDSA-N
XLogP0.02
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 86283365) is N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@H]1CN(C(CO)CO)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is PFYXXOPKGGKSCP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-9(2)12-4-18(11(6-19)7-20)5-13(12)17-15(21)14-10(3)16-8-22-14/h8-9,11-13,19-20H,4-7H2,1-3H3,(H,17,21)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 86283365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).