N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C18H23N3O5 — CID 42769002

IUPACN-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23N3O5/c1-5-12(2)21(11-17(22)19-16-6-7-26-20-16)18(23)13-8-14(24-3)10-15(9-13)25-4/h6-10,12H,5,11H2,1-4H3,(H,19,20,22)
InChIKeyYBCZVVOUQQWLJN-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.57
Rot. Bonds8

About N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 42769002) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID42769002
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H23N3O5/c1-5-12(2)21(11-17(22)19-16-6-7-26-20-16)18(23)13-8-14(24-3)10-15(9-13)25-4/h6-10,12H,5,11H2,1-4H3,(H,19,20,22)
InChIKeyYBCZVVOUQQWLJN-UHFFFAOYSA-N
XLogP2.57
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42770908
(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 813648
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042
N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813708
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3957598
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 42769002) is N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1ccon1)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is YBCZVVOUQQWLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-12(2)21(11-17(22)19-16-6-7-26-20-16)18(23)13-8-14(24-3)10-15(9-13)25-4/h6-10,12H,5,11H2,1-4H3,(H,19,20,22).
What are the key properties of N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 42769002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).