N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

C19H31N3O3 — CID 72853160

IUPACN-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-4-5-16-10-22(11-17-13(2)21-25-14(17)3)12-18(16)20-19(23)15-6-8-24-9-7-15/h15-16,18H,4-12H2,1-3H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyKJXJMZMUQZZAJW-WMZOPIPTSA-N
MW349.48 g/mol
LogP2.43
Rot. Bonds6

About N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72853160) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72853160
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-4-5-16-10-22(11-17-13(2)21-25-14(17)3)12-18(16)20-19(23)15-6-8-24-9-7-15/h15-16,18H,4-12H2,1-3H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyKJXJMZMUQZZAJW-WMZOPIPTSA-N
XLogP2.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72853160) is N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is CCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is KJXJMZMUQZZAJW-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-5-16-10-22(11-17-13(2)21-25-14(17)3)12-18(16)20-19(23)15-6-8-24-9-7-15/h15-16,18H,4-12H2,1-3H3,(H,20,23)/t16-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72853160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).