N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine

C18H18N2O2 — CID 97258798

IUPACN-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine
SMILESCCOc1cccc([C@@H]2C[C@@H]2Nc2nc3ccccc3o2)c1
InChIInChI=1S/C18H18N2O2/c1-2-21-13-7-5-6-12(10-13)14-11-16(14)20-18-19-15-8-3-4-9-17(15)22-18/h3-10,14,16H,2,11H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyMQPWXJIQADSDST-HOCLYGCPSA-N
MW294.35 g/mol
LogP4.19
Rot. Bonds5

About N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine

N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine (PubChem CID 97258798) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine
PubChem CID97258798
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine
SMILESCCOc1cccc([C@@H]2C[C@@H]2Nc2nc3ccccc3o2)c1
InChIInChI=1S/C18H18N2O2/c1-2-21-13-7-5-6-12(10-13)14-11-16(14)20-18-19-15-8-3-4-9-17(15)22-18/h3-10,14,16H,2,11H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyMQPWXJIQADSDST-HOCLYGCPSA-N
XLogP4.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
CID 122438809
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
CID 122082396
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 56815552
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 24740862
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
CID 97258997
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
N-[(1S,3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-1,3-benzoxazol-2-amine
CID 125137648

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine (CID 97258798) is N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine is CCOc1cccc([C@@H]2C[C@@H]2Nc2nc3ccccc3o2)c1.
What is the InChIKey of N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine?
The InChIKey is MQPWXJIQADSDST-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-21-13-7-5-6-12(10-13)14-11-16(14)20-18-19-15-8-3-4-9-17(15)22-18/h3-10,14,16H,2,11H2,1H3,(H,19,20)/t14-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine?
N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 97258798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).