N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

C15H25N3O2 — CID 56759660

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC1(C)CCN(C)C1
InChIInChI=1S/C15H25N3O2/c1-6-12-13(11(2)20-16-12)14(19)18(5)10-15(3)7-8-17(4)9-15/h6-10H2,1-5H3
InChIKeyZXSQTHVLMWAYOO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds4

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 56759660) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID56759660
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC1(C)CCN(C)C1
InChIInChI=1S/C15H25N3O2/c1-6-12-13(11(2)20-16-12)14(19)18(5)10-15(3)7-8-17(4)9-15/h6-10H2,1-5H3
InChIKeyZXSQTHVLMWAYOO-UHFFFAOYSA-N
XLogP1.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234303
(2,6-Dimethylmorpholin-4-yl)(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 3245328
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 2225560
3,5,7-Trimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 2745399
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233198
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478640

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 56759660) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(C)CC1(C)CCN(C)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZXSQTHVLMWAYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-12-13(11(2)20-16-12)14(19)18(5)10-15(3)7-8-17(4)9-15/h6-10H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56759660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).