N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide

C21H29N3O2 — CID 46023433

IUPACN-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)C1CC1
InChIInChI=1S/C21H29N3O2/c1-5-13-24(20(25)17-11-12-17)14-18-19(16-9-7-6-8-10-16)22-26-21(18)23(4)15(2)3/h6-10,15,17H,5,11-14H2,1-4H3
InChIKeyKJZFQBGEMPKTMC-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.33
Rot. Bonds8

About N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide

N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide (PubChem CID 46023433) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
PubChem CID46023433
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)C1CC1
InChIInChI=1S/C21H29N3O2/c1-5-13-24(20(25)17-11-12-17)14-18-19(16-9-7-6-8-10-16)22-26-21(18)23(4)15(2)3/h6-10,15,17H,5,11-14H2,1-4H3
InChIKeyKJZFQBGEMPKTMC-UHFFFAOYSA-N
XLogP4.33
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 46023691
N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 24719625
N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
CID 42841535
N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 24718080
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46023429
N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42842173
1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46023923
N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-(3-methoxypropyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 93222395
N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015022

Frequently Asked Questions

What is the IUPAC name of N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide?
The IUPAC name of N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide (CID 46023433) is N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide is CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)C1CC1.
What is the InChIKey of N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide?
The InChIKey is KJZFQBGEMPKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-13-24(20(25)17-11-12-17)14-18-19(16-9-7-6-8-10-16)22-26-21(18)23(4)15(2)3/h6-10,15,17H,5,11-14H2,1-4H3.
What are the key properties of N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide?
N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 46023433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).