N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide

C18H23N3O3 — CID 146099040

IUPACN,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C3CCN(C(=O)C(C)C)C3)ccc2o1
InChIInChI=1S/C18H23N3O3/c1-11(2)17(22)21-8-7-14(10-21)20(4)18(23)13-5-6-16-15(9-13)19-12(3)24-16/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeySJWDGIDJTHHIQC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds3

About N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide

N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 146099040) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide
PubChem CID146099040
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C3CCN(C(=O)C(C)C)C3)ccc2o1
InChIInChI=1S/C18H23N3O3/c1-11(2)17(22)21-8-7-14(10-21)20(4)18(23)13-5-6-16-15(9-13)19-12(3)24-16/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeySJWDGIDJTHHIQC-UHFFFAOYSA-N
XLogP2.47
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25479683
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110399523
N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-1,3-benzoxazole-6-carboxamide
CID 110765232
2-ethyl-1-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110399491
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 110766273
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
2-[4-[cyclopropyl(methyl)carbamoyl]piperazin-1-yl]-1,3-benzoxazole-5-carboxylic acid
CID 166312943
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110390559
(3aR,7aS)-1-(2-methoxyethyl)-5-(2-methyl-1,3-benzoxazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963795
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide (CID 146099040) is N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)C3CCN(C(=O)C(C)C)C3)ccc2o1.
What is the InChIKey of N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is SJWDGIDJTHHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)17(22)21-8-7-14(10-21)20(4)18(23)13-5-6-16-15(9-13)19-12(3)24-16/h5-6,9,11,14H,7-8,10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide?
N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 146099040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).