N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

C16H17N3O3 — CID 175777932

IUPACN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-11-15(10-21-18-11)16(20)17-9-13-8-14(22-19-13)7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,17,20)
InChIKeyDTIZFLBYPXVLRY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.10
Rot. Bonds5

About N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 175777932) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID175777932
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-11-15(10-21-18-11)16(20)17-9-13-8-14(22-19-13)7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,17,20)
InChIKeyDTIZFLBYPXVLRY-UHFFFAOYSA-N
XLogP2.10
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 175777932) is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NCC1=NOC(Cc2ccccc2)C1.
What is the InChIKey of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DTIZFLBYPXVLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-15(10-21-18-11)16(20)17-9-13-8-14(22-19-13)7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,17,20).
What are the key properties of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175777932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).