N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C16H27N3O2 — CID 56705447

IUPACN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ncoc2C(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)8-19-6-5-13(9-19)7-17-16(20)14-15(12(3)4)21-10-18-14/h10-13H,5-9H2,1-4H3,(H,17,20)
InChIKeyGVYMHGNMQFPTSQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.51
Rot. Bonds6

About N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 56705447) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID56705447
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ncoc2C(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)8-19-6-5-13(9-19)7-17-16(20)14-15(12(3)4)21-10-18-14/h10-13H,5-9H2,1-4H3,(H,17,20)
InChIKeyGVYMHGNMQFPTSQ-UHFFFAOYSA-N
XLogP2.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56720822
4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95221676
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 98308295
6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 45240519
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 95555888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 56705447) is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)CN1CCC(CNC(=O)c2ncoc2C(C)C)C1.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GVYMHGNMQFPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)8-19-6-5-13(9-19)7-17-16(20)14-15(12(3)4)21-10-18-14/h10-13H,5-9H2,1-4H3,(H,17,20).
What are the key properties of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56705447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).