N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine

C11H13N3O — CID 62381342

IUPACN-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCNC3)nc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)14-11(15-10)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)
InChIKeyVYQYAZCMWKTVCW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.60
Rot. Bonds2

About N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine

N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine (PubChem CID 62381342) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
PubChem CID62381342
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCNC3)nc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)14-11(15-10)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)
InChIKeyVYQYAZCMWKTVCW-UHFFFAOYSA-N
XLogP1.60
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-decyl-N-[(3R)-pyrrolidin-3-yl]-1,3-benzoxazol-2-amine
CID 169298595
5-nitro-N-[(3S)-pyrrolidin-3-yl]-1,3-benzoxazol-2-amine;hydrochloride
CID 71635895
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
CID 18762616
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 56815552
N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62046745
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
CID 133347923
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
N-(1,1-dioxothian-3-yl)-1,3-benzoxazol-2-amine
CID 63923752

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine (CID 62381342) is N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine is c1ccc2oc(NC3CCNC3)nc2c1.
What is the InChIKey of N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine?
The InChIKey is VYQYAZCMWKTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)14-11(15-10)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14).
What are the key properties of N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine?
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62381342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).