N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide

C14H16N6O2 — CID 118776844

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)NCCc1nc2ccccc2o1
InChIInChI=1S/C14H16N6O2/c21-13(6-3-9-20-10-16-18-19-20)15-8-7-14-17-11-4-1-2-5-12(11)22-14/h1-2,4-5,10H,3,6-9H2,(H,15,21)
InChIKeyQBFKXNDFYUYRJG-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.95
Rot. Bonds7

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 118776844) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID118776844
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)NCCc1nc2ccccc2o1
InChIInChI=1S/C14H16N6O2/c21-13(6-3-9-20-10-16-18-19-20)15-8-7-14-17-11-4-1-2-5-12(11)22-14/h1-2,4-5,10H,3,6-9H2,(H,15,21)
InChIKeyQBFKXNDFYUYRJG-UHFFFAOYSA-N
XLogP0.95
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(tetrazol-1-yl)butanamide
CID 118785590
4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 100511008
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-[3-(1,3-benzoxazol-2-yl)propyl]formamide
CID 87717717
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 118776844) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is QBFKXNDFYUYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c21-13(6-3-9-20-10-16-18-19-20)15-8-7-14-17-11-4-1-2-5-12(11)22-14/h1-2,4-5,10H,3,6-9H2,(H,15,21).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 300.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 118776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).