N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine

C15H14N4O — CID 122154395

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCc3ncc4c(n3)CCC4)nc2c1
InChIInChI=1S/C15H14N4O/c1-2-7-13-12(5-1)19-15(20-13)17-9-14-16-8-10-4-3-6-11(10)18-14/h1-2,5,7-8H,3-4,6,9H2,(H,17,19)
InChIKeyLECJIGWMACEHSO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.72
Rot. Bonds3

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 122154395) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID122154395
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCc3ncc4c(n3)CCC4)nc2c1
InChIInChI=1S/C15H14N4O/c1-2-7-13-12(5-1)19-15(20-13)17-9-14-16-8-10-4-3-6-11(10)18-14/h1-2,5,7-8H,3-4,6,9H2,(H,17,19)
InChIKeyLECJIGWMACEHSO-UHFFFAOYSA-N
XLogP2.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
CID 51120974
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133415291
N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 175941233
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine
CID 122442565
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
CID 82473451
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746
2-(1,3-benzoxazol-2-ylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135436391

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine (CID 122154395) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine is c1ccc2oc(NCc3ncc4c(n3)CCC4)nc2c1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is LECJIGWMACEHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-7-13-12(5-1)19-15(20-13)17-9-14-16-8-10-4-3-6-11(10)18-14/h1-2,5,7-8H,3-4,6,9H2,(H,17,19).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 266.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 122154395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).