N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine

C15H16N2O2 — CID 60715726

IUPACN-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(CCc1ccco1)Nc1nc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c1-11(8-9-12-5-4-10-18-12)16-15-17-13-6-2-3-7-14(13)19-15/h2-7,10-11H,8-9H2,1H3,(H,16,17)
InChIKeyVSHHVFRXAJPDTE-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine

N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 60715726) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
PubChem CID60715726
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(CCc1ccco1)Nc1nc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c1-11(8-9-12-5-4-10-18-12)16-15-17-13-6-2-3-7-14(13)19-15/h2-7,10-11H,8-9H2,1H3,(H,16,17)
InChIKeyVSHHVFRXAJPDTE-UHFFFAOYSA-N
XLogP3.85
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959609
5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine (CID 60715726) is N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine is CC(CCc1ccco1)Nc1nc2ccccc2o1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is VSHHVFRXAJPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(8-9-12-5-4-10-18-12)16-15-17-13-6-2-3-7-14(13)19-15/h2-7,10-11H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine?
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 256.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 60715726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).